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Home > Indoles and Oxindole > 26211-98-3
26211-98-3 | 2-Propen-1-one, 1-(2-methyl-1H-indol-3-yl)-3-phenyl-
CAS No: 26211-98-3 Catalog No: AG002SAV MDL No:
Product Description
Catalog Number:
AG002SAV
Chemical Name:
2-Propen-1-one, 1-(2-methyl-1H-indol-3-yl)-3-phenyl-
CAS Number:
26211-98-3
Molecular Formula:
C18H15NO
Molecular Weight:
261.3178
IUPAC Name:
1-(2-methyl-1H-indol-3-yl)-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C18H15NO/c1-13-18(15-9-5-6-10-16(15)19-13)17(20)12-11-14-7-3-2-4-8-14/h2-12,19H,1H3
InChI Key:
BMLBNEIPBWFPTD-UHFFFAOYSA-N
SMILES:
O=C(c1c(C)[nH]c2c1cccc2)C=Cc1ccccc1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.324g/mol
Monoisotopic Mass:
261.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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